General Information of the Compound
| Compound ID |
CP0902873
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| Compound Name |
3-((4-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl)amino)piperidin-1-yl)methyl)benzamide
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| Structure |
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| Formula |
C28H28N6O2S
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| Molecular Weight |
512.639
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc2sccc12
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| InChI |
InChI=1S/C28H28N6O2S/c1-17-12-20(15-29)13-18(2)24(17)36-26-23-8-11-37-27(23)33-28(32-26)31-22-6-9-34(10-7-22)16-19-4-3-5-21(14-19)25(30)35/h3-5,8,11-14,22H,6-7,9-10,16H2,1-2H3,(H2,30,35)(H,31,32,33)
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| InChIKey |
VNWBLMFRRJNDRA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay